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Ligand

NameCHEMBL2369784
Molecular formulaC48H71N11O9
IUPAC name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[3-(1H-indol-3-yl)propanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight946.164
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP2.0
SynonymsBDBM50227961
Inchi KeyJDSUUXMWJNPPOZ-ONSKYXJOSA-N
Inchi IDInChI=1S/C48H71N11O9/c1-6-51-46(67)40-14-10-22-59(40)47(68)35(13-9-21-52-48(49)50)55-42(63)36(23-28(2)3)56-43(64)37(24-29(4)5)57-44(65)38(25-30-15-18-32(61)19-16-30)58-45(66)39(27-60)54-41(62)20-17-31-26-53-34-12-8-7-11-33(31)34/h7-8,11-12,15-16,18-19,26,28-29,35-40,53,60-61H,6,9-10,13-14,17,20-25,27H2,1-5H3,(H,51,67)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H4,49,50,52)/t35-,36-,37+,38-,39-,40-/m0/s1
PubChem CID14557582
ChEMBLCHEMBL2369784
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148457Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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